4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran

C12H18O2 — CID 102384281

IUPAC4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran
SMILESCCCc1cc2c(o1)CCCC2OC
InChIInChI=1S/C12H18O2/c1-3-5-9-8-10-11(13-2)6-4-7-12(10)14-9/h8,11H,3-7H2,1-2H3
InChIKeySEGXZUSVPOGUIE-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.26
Rot. Bonds3

About 4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran

4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran (PubChem CID 102384281) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran
PubChem CID102384281
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran
SMILESCCCc1cc2c(o1)CCCC2OC
InChIInChI=1S/C12H18O2/c1-3-5-9-8-10-11(13-2)6-4-7-12(10)14-9/h8,11H,3-7H2,1-2H3
InChIKeySEGXZUSVPOGUIE-UHFFFAOYSA-N
XLogP3.26
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanamine
CID 112715141
4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran
CID 11346272
tert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane
CID 59889267
1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene
CID 54175180
4-[bis(4-ethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methyl]-N,N-dimethylaniline
CID 12989630
2,2,2-trifluoro-N-[2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]ethanamine
CID 83985507
5-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105437541
1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone
CID 14343014
2-cyclopropyl-5-propylfuran-3-carbaldehyde
CID 165451232
3-bromo-4-methoxy-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran
CID 71652269
(2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine
CID 112716095
2-tert-butyl-3-methoxy-5-propylfuran
CID 11052564

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran?
The IUPAC name of 4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran (CID 102384281) is 4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran.
What is the SMILES notation for 4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran?
The canonical SMILES for 4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran is CCCc1cc2c(o1)CCCC2OC.
What is the InChIKey of 4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran?
The InChIKey is SEGXZUSVPOGUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-5-9-8-10-11(13-2)6-4-7-12(10)14-9/h8,11H,3-7H2,1-2H3.
What are the key properties of 4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran?
4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran has a molecular weight of 194.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran is sourced from PubChem (CID 102384281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).